(E)-1-(2-fluoro-4-methoxyphenyl)-N-methoxyethanimine

C10H12FNO2 — CID 135075443

IUPAC(E)-1-(2-fluoro-4-methoxyphenyl)-N-methoxyethanimine
SMILESCO/N=C(\C)c1ccc(OC)cc1F
InChIInChI=1S/C10H12FNO2/c1-7(12-14-3)9-5-4-8(13-2)6-10(9)11/h4-6H,1-3H3/b12-7+
InChIKeyJJBGDMSTSBNXLE-KPKJPENVSA-N
MW197.21 g/mol
LogP2.20
Rot. Bonds3

About (E)-1-(2-fluoro-4-methoxyphenyl)-N-methoxyethanimine

(E)-1-(2-fluoro-4-methoxyphenyl)-N-methoxyethanimine (PubChem CID 135075443) has the molecular formula C10H12FNO2 and a molecular weight of 197.21 g/mol. Its IUPAC name is (E)-1-(2-fluoro-4-methoxyphenyl)-N-methoxyethanimine.

Molecular Properties

Compound Name(E)-1-(2-fluoro-4-methoxyphenyl)-N-methoxyethanimine
PubChem CID135075443
Molecular FormulaC10H12FNO2
Molecular Weight197.21 g/mol
Exact Mass197.09
IUPAC Name(E)-1-(2-fluoro-4-methoxyphenyl)-N-methoxyethanimine
SMILESCO/N=C(\C)c1ccc(OC)cc1F
InChIInChI=1S/C10H12FNO2/c1-7(12-14-3)9-5-4-8(13-2)6-10(9)11/h4-6H,1-3H3/b12-7+
InChIKeyJJBGDMSTSBNXLE-KPKJPENVSA-N
XLogP2.20
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.21
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

methyl 3-fluoro-4-[(E)-N-methoxy-C-methylcarbonimidoyl]benzoate
CID 135057467
[(Z)-1-(2-fluoro-4-methoxyphenyl)ethylideneamino]urea
CID 137320304
(Z)-1-(2-fluorophenyl)-N-methoxyethanimine
CID 18416418
1-(1-chloroethenyl)-2-fluoro-4-methoxybenzene
CID 126581039
(E)-1-[2-fluoro-4-(trifluoromethoxy)phenyl]-N-[[2-[(Z)-N-methoxy-C-methylcarbonimidoyl]-6-methylphenyl]methoxy]ethanimine
CID 157024503
(2,6-difluoro-4-methoxyphenyl)-(2-fluoro-4-methoxyphenyl)methanone
CID 102882225
2-[5-methoxy-2-[(E)-N-methoxy-C-methylcarbonimidoyl]phenyl]isoindole-1,3-dione
CID 177450628
2-(2-fluoro-4-methoxyphenyl)-2-oxoacetaldehyde;hydrate
CID 2783263
2-fluoro-N,4-dimethoxybenzamide
CID 103606176
(2-fluoro-4-methoxyphenyl)-(4-fluorophenyl)methanone
CID 22475212
2-fluoro-4-methoxy-1-(1-phenylethenyl)benzene
CID 156698107
2-fluoro-5-iodo-4-methoxybenzoic acid;2-fluoro-4-methoxybenzoic acid
CID 160501658

Frequently Asked Questions

What is the IUPAC name of (E)-1-(2-fluoro-4-methoxyphenyl)-N-methoxyethanimine?
The IUPAC name of (E)-1-(2-fluoro-4-methoxyphenyl)-N-methoxyethanimine (CID 135075443) is (E)-1-(2-fluoro-4-methoxyphenyl)-N-methoxyethanimine.
What is the SMILES notation for (E)-1-(2-fluoro-4-methoxyphenyl)-N-methoxyethanimine?
The canonical SMILES for (E)-1-(2-fluoro-4-methoxyphenyl)-N-methoxyethanimine is CO/N=C(\C)c1ccc(OC)cc1F.
What is the InChIKey of (E)-1-(2-fluoro-4-methoxyphenyl)-N-methoxyethanimine?
The InChIKey is JJBGDMSTSBNXLE-KPKJPENVSA-N. The full InChI is InChI=1S/C10H12FNO2/c1-7(12-14-3)9-5-4-8(13-2)6-10(9)11/h4-6H,1-3H3/b12-7+.
What are the key properties of (E)-1-(2-fluoro-4-methoxyphenyl)-N-methoxyethanimine?
(E)-1-(2-fluoro-4-methoxyphenyl)-N-methoxyethanimine has a molecular weight of 197.21 g/mol, XLogP of 2.20, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(2-fluoro-4-methoxyphenyl)-N-methoxyethanimine is sourced from PubChem (CID 135075443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).